2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one

C13H15NO3 — CID 105492607

IUPAC2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCCC2)ON1c1ccccc1O
InChIInChI=1S/C13H15NO3/c15-11-6-2-1-5-10(11)14-12(16)9-13(17-14)7-3-4-8-13/h1-2,5-6,15H,3-4,7-9H2
InChIKeyBWQWQLSXQUOSAC-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.37
Rot. Bonds1

About 2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one

2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one (PubChem CID 105492607) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one
PubChem CID105492607
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCCC2)ON1c1ccccc1O
InChIInChI=1S/C13H15NO3/c15-11-6-2-1-5-10(11)14-12(16)9-13(17-14)7-3-4-8-13/h1-2,5-6,15H,3-4,7-9H2
InChIKeyBWQWQLSXQUOSAC-UHFFFAOYSA-N
XLogP2.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(1,3-benzodioxol-5-yl)-2-(2-hydroxyphenyl)-2-azaspiro[3.5]nonan-3-one
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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one?
The IUPAC name of 2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one (CID 105492607) is 2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one is O=C1CC2(CCCC2)ON1c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one?
The InChIKey is BWQWQLSXQUOSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-11-6-2-1-5-10(11)14-12(16)9-13(17-14)7-3-4-8-13/h1-2,5-6,15H,3-4,7-9H2.
What are the key properties of 2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one?
2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one has a molecular weight of 233.27 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-1-oxa-2-azaspiro[4.4]nonan-3-one is sourced from PubChem (CID 105492607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).